Chemical Properties of L-Phenylalanine, N-pentafluoropropionyl-, nonyl ester

InChI

InChI=1S/C21H28F5NO3/c1-2-3-4-5-6-7-11-14-30-18(28)17(15-16-12-9-8-10-13-16)27-19(29)20(22,23)21(24,25)26/h8-10,12-13,17H,2-7,11,14-15H2,1H3,(H,27,29)

InChI Key

SJYNVAKMXGSJME-UHFFFAOYSA-N

Formula

C21H28F5NO3

SMILES

CCCCCCCCCOC(=O)C(Cc1ccccc1)NC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

437.45

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	50.72	kJ/mol	Joback Calculated Property
log10WS	-6.23		Relay (1.0) Calculated Property
logPoct/wat	5.205		Crippen Calculated Property
McVol	310.830	ml/mol	McGowan Calculated Property
Pc	1141.34	kPa	Joback Calculated Property
Inp	[2178.00; 2178.00]
Inp	2178.00		NIST
Inp	2178.00		NIST
Tboil	619.72	K	Relay (1.0) Calculated Property
Tfus	327.31	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1006.35; 1081.10]	J/mol×K	[876.34; 1074.53]
Cp,gas	1006.35	J/mol×K	876.34	Joback Calculated Property
Cp,gas	1021.05	J/mol×K	909.37	Joback Calculated Property
Cp,gas	1034.75	J/mol×K	942.40	Joback Calculated Property
Cp,gas	1047.52	J/mol×K	975.44	Joback Calculated Property
Cp,gas	1059.45	J/mol×K	1008.47	Joback Calculated Property
Cp,gas	1070.62	J/mol×K	1041.50	Joback Calculated Property
Cp,gas	1081.10	J/mol×K	1074.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Phenylalanine, N-pentafluoropropionyl-, nonyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.